man drawxtl (1): display crystal structures on ordinary computer hardware

SYNOPSIS

drawxtl [filename]

DESCRIPTION

drawxtl reads a basic description of the crystal structure, which includes unit-cell parameters, space group, atomic coordinates, thermal parameters or a Fourier map, and outputs a geometry object that contains polyhedra, planes, lone-pair cones, spheres or ellipsoids, bonds, iso-surface Fourier contours and the unit-cell boundary.

Four forms of graphics are produced:

an OpenGL window for immediate viewing
the Persistence of Vision Ray Tracer (POV-RAY) scene language for publication-quality drawings
the Virtual Reality Modeling Language (VRML) for dissemination across the Internet
Postscript rendering of the OpenGL window for those who want high-quality output but do not have POV-RAY installed

OPTIONS

There are no command line options to use.

FILES

~/.drawxtlrc: Per user configuration file.

A short tutorial about this file and configuring drawxtl is available online at http://home.att.net/~larry.finger/drawxtl/configure.htm.

BUGS

When opening a structures (.str) file, drawxtl needs write permissions in the directory the file is located in. Otherwise it will return an error ("Cannot open structures files.").

CITATION

Please cite DRAWxtl as follows:

: Larry W. Finger, Martin Kroeker, and Brian H. Toby, DRAWxtl, an open-source computer program to produce crystal-structure drawings, J. Applied Crystallography V40, pp. 188-192, 2007.

An electronic reprint is available online at http://home.att.net/~larry.finger/drawxtl/DRAWxtl_JAC.pdf.

AUTHORS

Larry Finger <[email protected]>: Author of the program and the former version called "crystal".
Martin Kroeker <[email protected]>: Author of the original POV and VRML modifications.
Brian Toby <[email protected]>: Author of the Fourier-contour code.
Daniel Leidert <[email protected]>: Manpage author for the Debian system.

COPYRIGHT

This manual page was written for the Debian system (but may be used by others).

Permission is granted to copy, distribute and/or modify this document under the terms of the GNU General Public License, Version 2 or (at your option) any later version published by the Free Software Foundation.

On Debian systems, the complete text of the GNU General Public License can be found in /usr/share/common-licenses/GPL.